SCHEMBL7212596

SCHEMBL7212596

N#Cc1ccc(NC(=Nc2ccccc2Br)NCCO)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.52
CXCR1 P25024 13/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6817701 0.84 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL7212626 0.83 CXCR2 (0.47) CXCR2CXCR1
SCHEMBL7212775 0.79 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL7212592 0.76 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL8034421 0.76 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL8031959 0.74 CXCR2 (0.50) CXCR2CXCR1
SCHEMBL8022708 0.74 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL8032367 0.74 CXCR2 (0.49) CXCR2CXCR1
SCHEMBL7069156 0.74 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL6817696 0.73 CXCR2 (0.70) CXCR2CXCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500443-A 2003-01-07 JP claimed
EP-1180025-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP claimed
EP-1180025-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-02-20 EP claimed
WO-2000072840-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO claimed
EP-1180025-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP disclosed
EP-1180025-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-02-20 EP disclosed
WO-2000072840-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO disclosed